Information card for entry 2219812

Structure parameters

• Chemical name: (<i>E</i>)-Methyl <i>N</i>'-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate
• Formula: C12 H16 N2 O5
• Calculated formula: C12 H16 N2 O5
• SMILES: C(=O)(OC)N/N=C/c1cc(c(c(c1)OC)OC)OC
• Title of publication: (<i>E</i>)-Methyl <i>N</i>'-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate
• Authors of publication: Lv, Lu-Ping; Xie, Jian-Wu; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2063
• a: 8.554 ± 0.003 Å
• b: 22.705 ± 0.007 Å
• c: 7.813 ± 0.002 Å
• α: 90°
• β: 116.15 ± 0.01°
• γ: 90°
• Cell volume: 1362.1 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes